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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/24562

Title: Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell
Authors: Kavanagh, Richard J.
Cao, Xiao-Ming
Lin, Wen-Feng
Hardacre, Christopher
Hu, Peijun
Keywords: Density functional calculations
Electrochemistry
Fuel cells
Heterogeneous catalysis
Platinum
Issue Date: 2012
Publisher: © Wiley-VCH
Citation: KAVANAGH, R. et al., 2012. Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell. Angewandte Chemie : International Edition, 51 (7), pp.1572-1575.
Abstract: Calculated answer: First-principles calculations have been applied to calculate the energy barrier for the key step in CO formation on a Pt surface (see picture; Pt blue, Pt atoms on step edge yellow) to understand the low CO 2 selectivity in the direct ethanol fuel cell. The presence of surface oxidant species such as O (brown bar) and OH (red bar) led to an increase of the energy barrier and thus an inhibition of the key step.
Description: Closed access.
Sponsor: EPSRC.
Version: Published
DOI: 10.1002/anie.201104990
URI: https://dspace.lboro.ac.uk/2134/24562
Publisher Link: http://dx.doi.org/10.1002/anie.201104990
ISSN: 1433-7851
Appears in Collections:Closed Access (Chemical Engineering)

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